Vitas-M small molecule compound
6-{[2-({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl]sulfanyl}-1H,3H-benzo[de]isochromene-1,3-dione
Catalog ID
STL295001
SMILES Clc1cccc(c1)N1N=C(/C(=C\Nc2ccccc2Sc2ccc3c4c2cccc4C(=O)OC3=O)/C1=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H18ClN3O4S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClN3O4S/c1-16-22(27(34)33(32-16)18-7-4-6-17(30)14-18)15-31-23-10-2-3-11-25(23)38-24-13-12-21-26-19(24)8-5-9-20(26)28(35)37-29(21)36/h2-15,31H,1H3/b22-15+InChIKey
INEFWBACSJPZHF-PXLXIMEGSA-NSynonyms
6((2(((E)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenyl)sulfanyl)1H3Hbenzo(de)isochromene13dione
CC1=NN(C(=O)C1=CNC2=CC=CC=C2SC3=C4C=CC=C5C4=C(C=C3)C(=O)OC5=O)C6=CC(=CC=C6)Cl
Clc1cccc(c1)N1N=C(C(=CNc2ccccc2Sc2ccc3c4c2cccc4C(=O)OC3=O)C1=O)C
InChI=1SC29H18ClN3O4Sc11622(27(34)33(3216)1874617(30)1418)15312310231125(23)38241312212619(24)85920(26)28(35)3729(21)36h21531H1H3b2215+
MFCD28032860
ZINC000101140942
ZINC101140942
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